EcoDrugPlus


Synonyms	Mitoguazone
Status
Molecule Category	Free-form
ATC	L01XX16
UNII	OD5Q0L447W

Synonyms

Mitoguazone

Status

Molecule Category

Free-form

ATC

L01XX16

UNII

OD5Q0L447W


InChI Key	MXWHMTNPTTVWDM-NXOFHUPFSA-N
Smiles	CC(/C=N/NC(=N)N)=N\NC(=N)N
InChI	InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+

InChI Key

MXWHMTNPTTVWDM-NXOFHUPFSA-N

Smiles

CC(/C=N/NC(=N)N)=N\NC(=N)N

InChI

InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+

Property Name	Value
Molecular Formula	C5H12N8
Molecular Weight	184.21
AlogP	-2.11
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	153.52
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C5H12N8

Molecular Weight

184.21

AlogP

-2.11

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

3.0

Polar Surface Area

153.52

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

13.0

Resources	Reference
ChEBI	43996
ChEMBL	CHEMBL216913
DrugBank	DB12967
DrugCentral	3362
FDA SRS	OD5Q0L447W
PDB	MGB
PubChem	76961227
SureChEMBL	SCHEMBL8454
ZINC	ZINC000004557060

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PDB

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

MITOGUAZONE

Structure

Physicochemical Descriptors

Cross References